CID 59762767

3-chloro-4,5-dimethylpyridazine

Structural Information

Molecular Formula
C6H7ClN2
SMILES
CC1=CN=NC(=C1C)Cl
InChI
InChI=1S/C6H7ClN2/c1-4-3-8-9-6(7)5(4)2/h3H,1-2H3
InChIKey
PSVFHXCZBROHDG-UHFFFAOYSA-N
Compound name
3-chloro-4,5-dimethylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

142.02977 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.037046 123.7
[M+Na]+ 165.018988 135.1
[M-H]- 141.022494 125.2
[M+NH4]+ 160.063593 144.1
[M+K]+ 180.992928 131.9
[M+H-H2O]+ 125.027030 117.9
[M+HCOO]- 187.027971 142.0
[M+CH3COO]- 201.043621 173.8
[M+Na-2H]- 163.004436 131.9
[M]+ 142.02922142 126.1
[M]- 142.03031858 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe